6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine

C14H13ClN2O3 — CID 176830724

IUPAC6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
SMILESCc1cc(C)c(Oc2nc(Cl)ccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H13ClN2O3/c1-8-6-9(2)13(10(3)7-8)20-14-11(17(18)19)4-5-12(15)16-14/h4-7H,1-3H3
InChIKeyUVGPQWQXCBXJCB-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.36
Rot. Bonds3

About 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine

6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine (PubChem CID 176830724) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
PubChem CID176830724
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
SMILESCc1cc(C)c(Oc2nc(Cl)ccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H13ClN2O3/c1-8-6-9(2)13(10(3)7-8)20-14-11(17(18)19)4-5-12(15)16-14/h4-7H,1-3H3
InChIKeyUVGPQWQXCBXJCB-UHFFFAOYSA-N
XLogP4.36
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-chloro-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-nitropyridine
CID 81341844
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
3,6-dichloro-5-(2,4-dimethyl-6-nitrophenoxy)-1,2,4-triazine
CID 81037916
6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
CID 62004028
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
CID 80874556
6-chloro-2-(1-methylpiperidin-1-ium-4-yl)oxy-3-nitropyridine chloride
CID 110185311
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine?
The IUPAC name of 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine (CID 176830724) is 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine?
The canonical SMILES for 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine is Cc1cc(C)c(Oc2nc(Cl)ccc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine?
The InChIKey is UVGPQWQXCBXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-6-9(2)13(10(3)7-8)20-14-11(17(18)19)4-5-12(15)16-14/h4-7H,1-3H3.
What are the key properties of 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine?
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine has a molecular weight of 292.72 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine is sourced from PubChem (CID 176830724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).